2-[4-chloranyl-6-[4-(2-fluorophenyl)carbonyl-3-methyl-piperazin-1-yl]pyrimidin-2-yl]sulfanylethanoic acid

Systemtic Name: 2-[4-chloranyl-6-[4-(2-fluorophenyl)carbonyl-3-methyl-piperazin-1-yl]pyrimidin-2-yl]sulfanylethanoic acid Openeye Name: 2-[4-chloro-6-[4-(2-fluorobenzoyl)-3-methyl-piperazin-1-yl]pyrimidin-2-yl]sulfanylacetic acid CAS Name: 2-[[4-chloro-6-[4-[(2-fluorophenyl)-oxomethyl]-3-methyl-1-piperazinyl]-2-pyrimidinyl]thio]acetic acid IUPAC Name: 2-[4-chloro-6-[4-(2-fluorobenzoyl)-3-methylpiperazin-1-yl]pyrimidin-2-yl]sulfanylacetic acid Traditional Name: 2-[[4-chloro-6-[4-(2-fluorobenzoyl)-3-methyl-piperazino]pyrimidin-2-yl]thio]acetic acid Formula: C18H18ClFN4O3S MolecularWeight: 424.876923

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)C2=CC=CC=C2F)C3=CC(=NC(=N3)SCC(=O)O)Cl

Isomeric SMILES

CC1CN(CCN1C(=O)C2=CC=CC=C2F)C3=CC(=NC(=N3)SCC(=O)O)Cl

InChI

InChI=1S/C18H18ClFN4O3S/c1-11-9-23(15-8-14(19)21-18(22-15)28-10-16(25)26)6-7-24(11)17(27)12-4-2-3-5-13(12)20/h2-5,8,11H,6-7,9-10H2,1H3,(H,25,26)